2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine

C10H16N4S — CID 105482388

IUPAC2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
SMILESCNC(C)c1nc(N)c2c(n1)CCSC2
InChIInChI=1S/C10H16N4S/c1-6(12-2)10-13-8-3-4-15-5-7(8)9(11)14-10/h6,12H,3-5H2,1-2H3,(H2,11,13,14)
InChIKeyNWADMGDGGDQRIF-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.13
Rot. Bonds2

About 2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine

2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine (PubChem CID 105482388) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
PubChem CID105482388
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
SMILESCNC(C)c1nc(N)c2c(n1)CCSC2
InChIInChI=1S/C10H16N4S/c1-6(12-2)10-13-8-3-4-15-5-7(8)9(11)14-10/h6,12H,3-5H2,1-2H3,(H2,11,13,14)
InChIKeyNWADMGDGGDQRIF-UHFFFAOYSA-N
XLogP1.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine (CID 105482388) is 2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine is CNC(C)c1nc(N)c2c(n1)CCSC2.
What is the InChIKey of 2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is NWADMGDGGDQRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-6(12-2)10-13-8-3-4-15-5-7(8)9(11)14-10/h6,12H,3-5H2,1-2H3,(H2,11,13,14).
What are the key properties of 2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine?
2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 224.33 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 105482388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).